Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6445019 | 0.82 | ALDH1A1 (0.38) | POLBSLC6A4CYP1A2MMP2MMP9 | |
| SCHEMBL6444086 | 0.82 | ALDH1A1 (0.38) | POLBSLC6A4CYP1A2MMP2MMP9 | |
| SCHEMBL8693993 | 0.81 | LDHA (0.56) | LDHAPOLBSLC6A4CYP1A2CYP2D6 | |
| SCHEMBL9219971 | 0.76 | LDHA (0.56) | LDHAPOLBCA2KMT2A | |
| SCHEMBL9444964 | 0.76 | LDHA (0.56) | LDHAPOLBCA2KMT2A | |
| SCHEMBL9219968 | 0.76 | LDHA (0.56) | LDHAPOLBCA2KMT2A | |
| SCHEMBL8692467 | 0.75 | IDO1 (0.50) | LDHAPOLBSLC6A4CYP1A2CYP2D6 | |
| SCHEMBL9068904 | 0.75 | LTA4H (0.56) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13604818 | 0.73 | MMP13 (0.52) | APLNRCA2KMT2AHTTCA12 | |
| SCHEMBL14770119 | 0.70 | CA12 (0.50) | APLNRCA2CA12CA1CA5A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328978-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1989-08-23 | — | — | EP | disclosed |